N-tert-butyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

C10H16N4O2S2 — CID 53151765

IUPACN-tert-butyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCc1nn2c(S(=O)(=O)NC(C)(C)C)c(C)nc2s1
InChIInChI=1S/C10H16N4O2S2/c1-6-8(18(15,16)13-10(3,4)5)14-9(11-6)17-7(2)12-14/h13H,1-5H3
InChIKeyCQHNHWGESRZROB-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.48
Rot. Bonds2

About N-tert-butyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

N-tert-butyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (PubChem CID 53151765) has the molecular formula C10H16N4O2S2 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-tert-butyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
PubChem CID53151765
Molecular FormulaC10H16N4O2S2
Molecular Weight288.40 g/mol
Exact Mass288.07
IUPAC NameN-tert-butyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCc1nn2c(S(=O)(=O)NC(C)(C)C)c(C)nc2s1
InChIInChI=1S/C10H16N4O2S2/c1-6-8(18(15,16)13-10(3,4)5)14-9(11-6)17-7(2)12-14/h13H,1-5H3
InChIKeyCQHNHWGESRZROB-UHFFFAOYSA-N
XLogP1.48
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The IUPAC name of N-tert-butyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (CID 53151765) is N-tert-butyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.
What is the SMILES notation for N-tert-butyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The canonical SMILES for N-tert-butyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is Cc1nn2c(S(=O)(=O)NC(C)(C)C)c(C)nc2s1.
What is the InChIKey of N-tert-butyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The InChIKey is CQHNHWGESRZROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S2/c1-6-8(18(15,16)13-10(3,4)5)14-9(11-6)17-7(2)12-14/h13H,1-5H3.
What are the key properties of N-tert-butyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
N-tert-butyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide has a molecular weight of 288.40 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is sourced from PubChem (CID 53151765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).